4-carbamimidoyl-N-[2-(2-methoxyethoxy)ethyl]benzamide

C13H19N3O3 — CID 20641922

IUPAC4-carbamimidoyl-N-[2-(2-methoxyethoxy)ethyl]benzamide
SMILES[H]/N=C(\N)c1ccc(C(=O)NCCOCCOC)cc1
InChIInChI=1S/C13H19N3O3/c1-18-8-9-19-7-6-16-13(17)11-4-2-10(3-5-11)12(14)15/h2-5H,6-9H2,1H3,(H3,14,15)(H,16,17)
InChIKeyIHKHBTIOYRLCFJ-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.36
Rot. Bonds8

About 4-carbamimidoyl-N-[2-(2-methoxyethoxy)ethyl]benzamide

4-carbamimidoyl-N-[2-(2-methoxyethoxy)ethyl]benzamide (PubChem CID 20641922) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-carbamimidoyl-N-[2-(2-methoxyethoxy)ethyl]benzamide.

Molecular Properties

Compound Name4-carbamimidoyl-N-[2-(2-methoxyethoxy)ethyl]benzamide
PubChem CID20641922
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name4-carbamimidoyl-N-[2-(2-methoxyethoxy)ethyl]benzamide
SMILES[H]/N=C(\N)c1ccc(C(=O)NCCOCCOC)cc1
InChIInChI=1S/C13H19N3O3/c1-18-8-9-19-7-6-16-13(17)11-4-2-10(3-5-11)12(14)15/h2-5H,6-9H2,1H3,(H3,14,15)(H,16,17)
InChIKeyIHKHBTIOYRLCFJ-UHFFFAOYSA-N
XLogP0.36
TPSA97.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 4-carbamimidoyl-N-[2-(2-methoxyethoxy)ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[2-[(4-carbamimidoylbenzoyl)amino]ethoxy]ethyl]-4-ethanimidoylbenzamide
CID 142215662
3-(4-carbamimidoylphenyl)-N-[2-(2-methoxyethoxy)ethyl]-2-oxopropanamide
CID 134379656
1-N-[2-(2-methoxyethoxy)ethyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide;molecular hydrogen
CID 166130832
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-(propan-2-ylideneamino)benzamide
CID 118012728
4-[9-[(4-carbamimidoylbenzoyl)amino]nonylcarbamoyl]benzoic acid
CID 11465154
3,4-dihydroxy-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]benzamide
CID 177473805
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-methylbenzamide;ethane
CID 143583879
4-[3-(2-methoxyethoxy)propylcarbamoyl]benzoic acid
CID 103790262
3-bromo-N-[2-(2-methoxyethoxy)ethyl]-4-methylbenzamide
CID 79466673
methyl (E)-2-acetamido-3-[4-carbamimidoyl-2-[2-[(4-carbamimidoylbenzoyl)amino]ethoxy]phenyl]prop-2-enoate
CID 89260109
4-tert-butyl-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 134028875
4-chloro-N-(2-methoxyethyl)benzamide
CID 3457742

Frequently Asked Questions

What is the IUPAC name of 4-carbamimidoyl-N-[2-(2-methoxyethoxy)ethyl]benzamide?
The IUPAC name of 4-carbamimidoyl-N-[2-(2-methoxyethoxy)ethyl]benzamide (CID 20641922) is 4-carbamimidoyl-N-[2-(2-methoxyethoxy)ethyl]benzamide.
What is the SMILES notation for 4-carbamimidoyl-N-[2-(2-methoxyethoxy)ethyl]benzamide?
The canonical SMILES for 4-carbamimidoyl-N-[2-(2-methoxyethoxy)ethyl]benzamide is [H]/N=C(\N)c1ccc(C(=O)NCCOCCOC)cc1.
What is the InChIKey of 4-carbamimidoyl-N-[2-(2-methoxyethoxy)ethyl]benzamide?
The InChIKey is IHKHBTIOYRLCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-18-8-9-19-7-6-16-13(17)11-4-2-10(3-5-11)12(14)15/h2-5H,6-9H2,1H3,(H3,14,15)(H,16,17).
What are the key properties of 4-carbamimidoyl-N-[2-(2-methoxyethoxy)ethyl]benzamide?
4-carbamimidoyl-N-[2-(2-methoxyethoxy)ethyl]benzamide has a molecular weight of 265.31 g/mol, XLogP of 0.36, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbamimidoyl-N-[2-(2-methoxyethoxy)ethyl]benzamide is sourced from PubChem (CID 20641922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).